4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C22H18F3N5O — CID 163280588

IUPAC4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCn1cc(Nc2cc(Oc3cccc(N)c3)c(-c3ccc(C(F)(F)F)cc3)cn2)cn1
InChIInChI=1S/C22H18F3N5O/c1-30-13-17(11-28-30)29-21-10-20(31-18-4-2-3-16(26)9-18)19(12-27-21)14-5-7-15(8-6-14)22(23,24)25/h2-13H,26H2,1H3,(H,27,29)
InChIKeyYCCZGWFODKWULS-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.62
Rot. Bonds5

About 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine

4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 163280588) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID163280588
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCn1cc(Nc2cc(Oc3cccc(N)c3)c(-c3ccc(C(F)(F)F)cc3)cn2)cn1
InChIInChI=1S/C22H18F3N5O/c1-30-13-17(11-28-30)29-21-10-20(31-18-4-2-3-16(26)9-18)19(12-27-21)14-5-7-15(8-6-14)22(23,24)25/h2-13H,26H2,1H3,(H,27,29)
InChIKeyYCCZGWFODKWULS-UHFFFAOYSA-N
XLogP5.62
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
1-N-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 79770648
4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 163280858
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
N-[2-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 163281198
4-N-(3-aminophenyl)-5-fluoro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 163280558
3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773336
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 32610322
2-chloro-N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]acetamide
CID 163280911
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423623
N-[3-[2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 163281077
6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 151937131

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 163280588) is 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine is Cn1cc(Nc2cc(Oc3cccc(N)c3)c(-c3ccc(C(F)(F)F)cc3)cn2)cn1.
What is the InChIKey of 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is YCCZGWFODKWULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-30-13-17(11-28-30)29-21-10-20(31-18-4-2-3-16(26)9-18)19(12-27-21)14-5-7-15(8-6-14)22(23,24)25/h2-13H,26H2,1H3,(H,27,29).
What are the key properties of 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine?
4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 425.41 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-N-(1-methylpyrazol-4-yl)-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 163280588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).